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(3α,5β,20S)-pregnane-3,17,20-triol English (Q7239897)

Item Discussion
chemical compound
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Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    CAS registry number
    1098-45-9
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    43822S61TB
    language of work or name
    English
    title
    (3α,5β,20S)-pregnane-3,17,20-triol (English)
    retrieved
    19 November 2016
    InChIKey
    SCPADBBISMMJAW-UHHUKTEYSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    8 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=1098-45-9
    PubChem CID
    101967
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    101967
    language of work or name
    English
    title
    PREGNANETRIOL (English)
    retrieved
    19 November 2016
    InChI
    InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    101967
    language of work or name
    English
    title
    PREGNANETRIOL (English)
    retrieved
    19 November 2016
    InChIKey
    SCPADBBISMMJAW-UHHUKTEYSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    101967
    language of work or name
    English
    title
    PREGNANETRIOL (English)
    retrieved
    19 November 2016
    stated in
    Q98915402 (Deleted Item)
    chemical formula
    C₂₁H₃₆O₃
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    101967
    language of work or name
    English
    title
    PREGNANETRIOL (English)
    retrieved
    19 November 2016
    ChemSpider ID
    92121
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    92121
    language of work or name
    English
    title
    Pregnanetriol (English)
    retrieved
    19 November 2016
    UNII English
    43822S61TB
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    43822S61TB
    language of work or name
    English
    title
    (3α,5β,20S)-pregnane-3,17,20-triol (English)
    retrieved
    19 November 2016
    SMILES
    CC(C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    101967
    language of work or name
    English
    title
    PREGNANETRIOL (English)
    retrieved
    19 November 2016
    ChEBI ID
    34464
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1878246
    language of work or name
    English
    title
    CHEMBL1878246 (English)
    retrieved
    19 November 2016
    isomeric SMILES
    C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    101967
    language of work or name
    English
    title
    PREGNANETRIOL (English)
    retrieved
    19 November 2016
    ChEMBL ID
    CHEMBL1878246
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1878246
    language of work or name
    English
    title
    CHEMBL1878246 (English)
    retrieved
    19 November 2016
    ECHA InfoCard ID
    100.012.862
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.012.862
    retrieved
    27 December 2018
    title
    5-β-pregnane-3-α,17-α,20-α-triol (English)
    quotation
    CAS no.: 1098-45-9 (English)
    KEGG ID English
    C14680
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    34464
    language of work or name
    English
    title
    5beta-Pregnane-3alpha,17alpha,20alpha-triol (English)
    retrieved
    6 October 2016
    EC number
    214-148-0
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    43822S61TB
    language of work or name
    English
    title
    (3α,5β,20S)-pregnane-3,17,20-triol (English)
    retrieved
    19 November 2016
    mass
    336.266 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    101967
    language of work or name
    English
    title
    PREGNANETRIOL (English)
    retrieved
    6 October 2016
    MeSH
    D011279
    named as
    Pregnanetriol
    0 references
    DSSTox substance ID English
    DTXSID00911364
    0 references
    NSC number English
    52760
    0 references
    Microsoft Academic ID
    2777223228
    0 references
    DSSTOX compound identifier English
    DTXCID601340401
    0 references
    Freebase ID
    /m/05t0996
    0 references
    MeSH Code
    D04.210.500.745.620
    0 references
    D06.472.334.851.687.750.478.400.500
    0 references
    P11199 (Deleted Property)
    PD151308 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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